N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-iodanyl-benzamide

Systemtic Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C18H16IN3OS2 MolecularWeight: 481.37361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H16IN3OS2/c1-10-5-6-13-14(9-20)17(25-15(13)7-10)22-18(24)21-16(23)11-3-2-4-12(19)8-11/h2-4,8,10H,5-7H2,1H3,(H2,21,22,23,24)/t10-/m0/s1